Information card for entry 1550011

Structure parameters

• Formula: C76 H15 Al Cl F45 O3
• Calculated formula: C76 H15 Al Cl F45 O3
• SMILES: C(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)O[Al](OC(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)(OC(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)Cl.[C+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Al(OCArF3)₃ - a thermally stable Lewis superacid.
• Authors of publication: Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 43
• Pages of publication: 8178 - 8183
• a: 13.8546 ± 0.0004 Å
• b: 14.2421 ± 0.0004 Å
• c: 20.1247 ± 0.0006 Å
• α: 94.513 ± 0.001°
• β: 96.029 ± 0.001°
• γ: 119.026 ± 0.001°
• Cell volume: 3414.42 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No